SCHEMBL4745478

SCHEMBL4745478

COc1cccc2cc(C(N)=O)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
ALDH1A1 P00352 2/20 1.00
LMNA P02545 2/20 0.75
RECQL P46063 1/20 0.75
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MEN1 O00255 1/20 0.68
ADORA2A P29274 1/20 0.66
ADORA2B P29275 1/20 0.66
ADORA1 P30542 1/20 0.66
MAPT P10636 3/20 0.64
HTT P42858 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL219813 0.86 LMNA (1.00) KMT2AALDH1A1LMNARECQLRAB9A
SCHEMBL978037 0.86 LMNA (0.77) KMT2AALDH1A1LMNARECQLRAB9A
SCHEMBL3614366 0.84 LMNA (0.75) KMT2AALDH1A1LMNARECQLRAB9A
SCHEMBL5584678 0.84 LMNA (0.75) KMT2AALDH1A1LMNARECQLRAB9A
SCHEMBL4209809 0.84 LMNA (0.75) KMT2AALDH1A1LMNARECQLRAB9A
SCHEMBL7701242 0.84 ALDH1A1 (0.73) KMT2AALDH1A1LMNARECQLRAB9A
SCHEMBL5584871 0.84 KMT2A (0.72) KMT2AALDH1A1LMNARECQLRAB9A
SCHEMBL7709279 0.84 KMT2A (0.72) KMT2AALDH1A1LMNARECQLRAB9A
Hydrochloric Acid SCHEMBL7709305 0.83 ALDH1A1 (0.71) KMT2AALDH1A1LMNARECQLRAB9A
SCHEMBL6837744 0.82 ALDH1A1 (0.68) KMT2AALDH1A1LMNARECQLRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION PRAZER THERAPEUTICS INC. (KR) 2024-12-26 US claimed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US claimed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP claimed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 US claimed
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 WO claimed
US-12636275-B2 Pharmaceutical use of ketoamide-based compound SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 US disclosed
US-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION PRAZER THERAPEUTICS INC. (KR) 2024-12-26 US disclosed
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-11-26 US disclosed
CN-113015726-B Ketone amide compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-03-08 CN disclosed
CN-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
CN-113197895-B Pharmaceutical application of ketoamide compound 中国科学院上海药物研究所 2023-06-20 CN disclosed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US disclosed
WO-2022213932-A1 PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF 广州必贝特医药股份有限公司 2022-10-13 WO disclosed
CN-114761410-A Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2022-07-15 CN disclosed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-0906301-B1 BENZOFURYL DERIVATIVES AND THEIR USE HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5955495-A BENZOFURAN-2-CARBOXAMIDINE OR 2-CARBOXAMIDOXIME COMPOUNDS USEFUL IN THE CONTROL OR PREVENTION OF ILLNESSES OR DISORDERS OF THE CENTRAL NERVOUS SYSTEM SUCH AS MIGRAINE, SCHIZOPHRENIA, ANXIETY STATES, SLEEP DISORDERS, ANOREXIA, ALZHEIMER'S HOFFMANN-LA ROCHE INC. (US) 1999-09-21 US disclosed
EP-0906301-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1999-04-07 EP disclosed
WO-1997042183-A1 BENZOFURYL DERIVATIVES AND THEIR USE F. HOFFMANN-LA ROCHE AG (CH) 1997-11-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF ACE, REN, ACE2 KMT2A 403/4885ALDH1A1 1463/4885LMNA 615/4885
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS KMT2A 859/4885ALDH1A1 2113/4885LMNA 1424/4885
US-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION ADRM1, SUMO1, SUMO2 KMT2A 2366/4885ALDH1A1 3989/4885LMNA 2751/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KMT2A 693/4885ALDH1A1 2036/4885LMNA 3391/4885
US-12636275-B2 Pharmaceutical use of ketoamide-based compound CTSV, CTSL, CTSS KMT2A 2730/4885ALDH1A1 2589/4885LMNA 888/4885
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof ACE, REN, ACE2 KMT2A 403/4885ALDH1A1 1463/4885LMNA 615/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.